(2R,3R)-2-(3-ethoxy-4-pentoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: (2R,3R)-2-(3-ethoxy-4-pentoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (2R,3R)-2-(3-ethoxy-4-pentoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (2R,3R)-2-(3-ethoxy-4-pentoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylate IUPAC Name: (2R,3R)-2-(3-ethoxy-4-pentoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (2R,3R)-2-(4-amoxy-3-ethoxy-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylate Formula: C22H25O6- MolecularWeight: 385.4303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2C(OC3=CC=CC=C3O2)C(=O)[O-])OCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)[C@@H]2[C@@H](OC3=CC=CC=C3O2)C(=O)[O-])OCC

InChI

InChI=1S/C22H26O6/c1-3-5-8-13-26-16-12-11-15(14-19(16)25-4-2)20-21(22(23)24)28-18-10-7-6-9-17(18)27-20/h6-7,9-12,14,20-21H,3-5,8,13H2,1-2H3,(H,23,24)/p-1/t20-,21-/m1/s1